USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 312 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot 180:sc= 0.101 USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 147:sc= 0.0104 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=0.7) USER MOD Single : A 5 MET CE :methyl -126:sc= 0 (180deg=-1.93!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -6.73 X(o=-6.7,f=-6.4!) USER MOD Single : A 10 MET CE :methyl 146:sc= -0.113 (180deg=-0.948) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : A 19 ASN : amide:sc= -0.0453 K(o=-0.045,f=-1.7!) USER MOD Single : A 23 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 30:sc= 0.074 USER MOD Single : A 29 ASN : amide:sc= -0.53 K(o=-0.53,f=-2.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0444) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= -0.109 (180deg=-0.652) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -46.053 21.713 7.026 1.00 0.00 N ATOM 2 CA ALA A 1 -44.895 21.178 6.265 1.00 0.00 C ATOM 3 C ALA A 1 -44.677 19.699 6.569 1.00 0.00 C ATOM 4 O ALA A 1 -44.838 19.258 7.707 1.00 0.00 O ATOM 5 CB ALA A 1 -43.639 21.972 6.588 1.00 0.00 C ATOM 0 H1 ALA A 1 -45.878 22.709 7.269 1.00 0.00 H new ATOM 0 H2 ALA A 1 -46.912 21.644 6.444 1.00 0.00 H new ATOM 0 H3 ALA A 1 -46.180 21.161 7.898 1.00 0.00 H new ATOM 0 HA ALA A 1 -45.113 21.278 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -42.798 21.569 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -43.790 23.017 6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -43.427 21.900 7.655 1.00 0.00 H new ATOM 13 N ILE A 2 -44.309 18.937 5.544 1.00 0.00 N ATOM 14 CA ILE A 2 -44.068 17.516 5.694 1.00 0.00 C ATOM 15 C ILE A 2 -42.589 17.242 5.956 1.00 0.00 C ATOM 16 O ILE A 2 -41.715 17.908 5.401 1.00 0.00 O ATOM 17 CB ILE A 2 -44.527 16.745 4.436 1.00 0.00 C ATOM 18 CG1 ILE A 2 -44.033 15.305 4.484 1.00 0.00 C ATOM 19 CG2 ILE A 2 -44.032 17.434 3.172 1.00 0.00 C ATOM 20 CD1 ILE A 2 -45.046 14.296 3.988 1.00 0.00 C ATOM 0 H ILE A 2 -44.172 19.288 4.596 1.00 0.00 H new ATOM 0 HA ILE A 2 -44.648 17.169 6.550 1.00 0.00 H new ATOM 0 HB ILE A 2 -45.617 16.738 4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -43.127 15.221 3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -43.760 15.058 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -44.366 16.875 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -44.432 18.447 3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -42.943 17.474 3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -44.623 13.294 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -45.945 14.351 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -45.301 14.516 2.951 1.00 0.00 H new ATOM 32 N GLY A 3 -42.318 16.259 6.806 1.00 0.00 N ATOM 33 CA GLY A 3 -40.947 15.911 7.129 1.00 0.00 C ATOM 34 C GLY A 3 -40.215 15.283 5.959 1.00 0.00 C ATOM 35 O GLY A 3 -39.986 14.073 5.940 1.00 0.00 O ATOM 0 H GLY A 3 -43.025 15.695 7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -40.414 16.807 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -40.940 15.219 7.971 1.00 0.00 H new ATOM 39 N ASN A 4 -39.848 16.106 4.983 1.00 0.00 N ATOM 40 CA ASN A 4 -39.137 15.625 3.804 1.00 0.00 C ATOM 41 C ASN A 4 -38.333 16.748 3.157 1.00 0.00 C ATOM 42 O ASN A 4 -38.083 16.732 1.952 1.00 0.00 O ATOM 43 CB ASN A 4 -40.124 15.034 2.794 1.00 0.00 C ATOM 44 CG ASN A 4 -39.835 13.578 2.484 1.00 0.00 C ATOM 45 OD1 ASN A 4 -39.849 12.728 3.374 1.00 0.00 O ATOM 46 ND2 ASN A 4 -39.568 13.283 1.217 1.00 0.00 N ATOM 0 H ASN A 4 -40.031 17.109 4.985 1.00 0.00 H new ATOM 0 HA ASN A 4 -38.444 14.846 4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -41.137 15.125 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -40.085 15.613 1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -39.364 12.320 0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -39.567 14.019 0.511 1.00 0.00 H new ATOM 53 N MET A 5 -37.935 17.729 3.966 1.00 0.00 N ATOM 54 CA MET A 5 -37.167 18.862 3.481 1.00 0.00 C ATOM 55 C MET A 5 -35.986 18.410 2.623 1.00 0.00 C ATOM 56 O MET A 5 -35.239 17.508 3.005 1.00 0.00 O ATOM 57 CB MET A 5 -36.670 19.698 4.663 1.00 0.00 C ATOM 58 CG MET A 5 -36.919 21.188 4.500 1.00 0.00 C ATOM 59 SD MET A 5 -35.877 21.931 3.230 1.00 0.00 S ATOM 60 CE MET A 5 -36.688 23.513 3.010 1.00 0.00 C ATOM 0 H MET A 5 -38.136 17.756 4.966 1.00 0.00 H new ATOM 0 HA MET A 5 -37.820 19.470 2.855 1.00 0.00 H new ATOM 0 HB2 MET A 5 -37.161 19.353 5.573 1.00 0.00 H new ATOM 0 HB3 MET A 5 -35.601 19.529 4.793 1.00 0.00 H new ATOM 0 HG2 MET A 5 -37.966 21.352 4.247 1.00 0.00 H new ATOM 0 HG3 MET A 5 -36.739 21.689 5.451 1.00 0.00 H new ATOM 0 HE1 MET A 5 -36.929 23.655 1.956 1.00 0.00 H new ATOM 0 HE2 MET A 5 -37.605 23.536 3.598 1.00 0.00 H new ATOM 0 HE3 MET A 5 -36.024 24.311 3.341 1.00 0.00 H new ATOM 70 N GLU A 6 -35.827 19.039 1.464 1.00 0.00 N ATOM 71 CA GLU A 6 -34.739 18.699 0.554 1.00 0.00 C ATOM 72 C GLU A 6 -34.245 19.936 -0.194 1.00 0.00 C ATOM 73 O GLU A 6 -34.421 20.054 -1.408 1.00 0.00 O ATOM 74 CB GLU A 6 -35.199 17.631 -0.443 1.00 0.00 C ATOM 75 CG GLU A 6 -34.126 16.607 -0.775 1.00 0.00 C ATOM 76 CD GLU A 6 -34.703 15.310 -1.307 1.00 0.00 C ATOM 77 OE1 GLU A 6 -35.595 15.370 -2.179 1.00 0.00 O ATOM 78 OE2 GLU A 6 -34.264 14.233 -0.852 1.00 0.00 O ATOM 0 H GLU A 6 -36.437 19.786 1.132 1.00 0.00 H new ATOM 0 HA GLU A 6 -33.913 18.304 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -36.068 17.115 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -35.521 18.119 -1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -33.444 17.027 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -33.538 16.399 0.119 1.00 0.00 H new ATOM 85 N GLN A 7 -33.629 20.858 0.540 1.00 0.00 N ATOM 86 CA GLN A 7 -33.115 22.087 -0.053 1.00 0.00 C ATOM 87 C GLN A 7 -31.609 22.000 -0.311 1.00 0.00 C ATOM 88 O GLN A 7 -31.161 22.146 -1.447 1.00 0.00 O ATOM 89 CB GLN A 7 -33.423 23.284 0.850 1.00 0.00 C ATOM 90 CG GLN A 7 -34.283 24.345 0.183 1.00 0.00 C ATOM 91 CD GLN A 7 -33.492 25.581 -0.197 1.00 0.00 C ATOM 92 OE1 GLN A 7 -32.679 25.552 -1.120 1.00 0.00 O ATOM 93 NE2 GLN A 7 -33.728 26.676 0.516 1.00 0.00 N ATOM 0 H GLN A 7 -33.474 20.777 1.545 1.00 0.00 H new ATOM 0 HA GLN A 7 -33.614 22.223 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -33.929 22.930 1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -32.485 23.737 1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -34.745 23.925 -0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -35.092 24.628 0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -34.411 26.654 1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -33.226 27.539 0.307 1.00 0.00 H new ATOM 102 N PRO A 8 -30.801 21.771 0.743 1.00 0.00 N ATOM 103 CA PRO A 8 -29.347 21.681 0.614 1.00 0.00 C ATOM 104 C PRO A 8 -28.864 20.288 0.209 1.00 0.00 C ATOM 105 O PRO A 8 -27.859 19.799 0.725 1.00 0.00 O ATOM 106 CB PRO A 8 -28.867 22.026 2.020 1.00 0.00 C ATOM 107 CG PRO A 8 -29.942 21.516 2.920 1.00 0.00 C ATOM 108 CD PRO A 8 -31.235 21.596 2.144 1.00 0.00 C ATOM 0 HA PRO A 8 -28.965 22.336 -0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -27.909 21.554 2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -28.727 23.100 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -29.737 20.490 3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -30.000 22.113 3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -31.831 20.692 2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -31.850 22.431 2.479 1.00 0.00 H new ATOM 116 N HIS A 9 -29.577 19.660 -0.721 1.00 0.00 N ATOM 117 CA HIS A 9 -29.209 18.329 -1.201 1.00 0.00 C ATOM 118 C HIS A 9 -30.116 17.902 -2.351 1.00 0.00 C ATOM 119 O HIS A 9 -31.027 17.094 -2.171 1.00 0.00 O ATOM 120 CB HIS A 9 -29.269 17.287 -0.072 1.00 0.00 C ATOM 121 CG HIS A 9 -30.027 17.727 1.145 1.00 0.00 C ATOM 122 ND1 HIS A 9 -31.403 17.804 1.191 1.00 0.00 N ATOM 123 CD2 HIS A 9 -29.589 18.101 2.372 1.00 0.00 C ATOM 124 CE1 HIS A 9 -31.778 18.206 2.394 1.00 0.00 C ATOM 125 NE2 HIS A 9 -30.697 18.392 3.127 1.00 0.00 N ATOM 0 H HIS A 9 -30.412 20.050 -1.158 1.00 0.00 H new ATOM 0 HA HIS A 9 -28.181 18.384 -1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -29.727 16.377 -0.460 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -28.251 17.031 0.223 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -28.560 18.159 2.695 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -32.796 18.356 2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -30.687 18.702 4.099 1.00 0.00 H new ATOM 134 N MET A 10 -29.857 18.450 -3.534 1.00 0.00 N ATOM 135 CA MET A 10 -30.647 18.125 -4.717 1.00 0.00 C ATOM 136 C MET A 10 -29.850 17.268 -5.699 1.00 0.00 C ATOM 137 O MET A 10 -30.233 17.122 -6.860 1.00 0.00 O ATOM 138 CB MET A 10 -31.116 19.407 -5.405 1.00 0.00 C ATOM 139 CG MET A 10 -29.973 20.217 -5.976 1.00 0.00 C ATOM 140 SD MET A 10 -29.715 21.777 -5.108 1.00 0.00 S ATOM 141 CE MET A 10 -28.091 21.505 -4.401 1.00 0.00 C ATOM 0 H MET A 10 -29.107 19.121 -3.699 1.00 0.00 H new ATOM 0 HA MET A 10 -31.515 17.551 -4.393 1.00 0.00 H new ATOM 0 HB2 MET A 10 -31.810 19.151 -6.206 1.00 0.00 H new ATOM 0 HB3 MET A 10 -31.666 20.018 -4.689 1.00 0.00 H new ATOM 0 HG2 MET A 10 -29.058 19.626 -5.931 1.00 0.00 H new ATOM 0 HG3 MET A 10 -30.169 20.421 -7.029 1.00 0.00 H new ATOM 0 HE1 MET A 10 -27.543 22.447 -4.376 1.00 0.00 H new ATOM 0 HE2 MET A 10 -28.196 21.119 -3.387 1.00 0.00 H new ATOM 0 HE3 MET A 10 -27.545 20.784 -5.010 1.00 0.00 H new ATOM 151 N ASP A 11 -28.740 16.701 -5.231 1.00 0.00 N ATOM 152 CA ASP A 11 -27.897 15.860 -6.074 1.00 0.00 C ATOM 153 C ASP A 11 -26.716 15.307 -5.280 1.00 0.00 C ATOM 154 O ASP A 11 -25.606 15.192 -5.800 1.00 0.00 O ATOM 155 CB ASP A 11 -27.388 16.656 -7.278 1.00 0.00 C ATOM 156 CG ASP A 11 -27.271 15.802 -8.526 1.00 0.00 C ATOM 157 OD1 ASP A 11 -28.285 15.189 -8.921 1.00 0.00 O ATOM 158 OD2 ASP A 11 -26.168 15.746 -9.106 1.00 0.00 O ATOM 0 H ASP A 11 -28.405 16.809 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 11 -28.499 15.023 -6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -28.064 17.488 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -26.414 17.085 -7.042 1.00 0.00 H new ATOM 163 N SER A 12 -26.965 14.969 -4.020 1.00 0.00 N ATOM 164 CA SER A 12 -25.923 14.430 -3.154 1.00 0.00 C ATOM 165 C SER A 12 -25.954 12.906 -3.148 1.00 0.00 C ATOM 166 O SER A 12 -24.935 12.254 -3.376 1.00 0.00 O ATOM 167 CB SER A 12 -26.092 14.962 -1.730 1.00 0.00 C ATOM 168 OG SER A 12 -24.835 15.232 -1.133 1.00 0.00 O ATOM 0 H SER A 12 -27.879 15.059 -3.576 1.00 0.00 H new ATOM 0 HA SER A 12 -24.957 14.752 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 12 -26.693 15.871 -1.747 1.00 0.00 H new ATOM 0 HB3 SER A 12 -26.635 14.233 -1.128 1.00 0.00 H new ATOM 0 HG SER A 12 -24.971 15.572 -0.224 1.00 0.00 H new ATOM 174 N ARG A 13 -27.129 12.342 -2.885 1.00 0.00 N ATOM 175 CA ARG A 13 -27.291 10.893 -2.848 1.00 0.00 C ATOM 176 C ARG A 13 -26.353 10.267 -1.819 1.00 0.00 C ATOM 177 O ARG A 13 -25.487 9.461 -2.160 1.00 0.00 O ATOM 178 CB ARG A 13 -27.025 10.295 -4.232 1.00 0.00 C ATOM 179 CG ARG A 13 -27.622 8.911 -4.423 1.00 0.00 C ATOM 180 CD ARG A 13 -28.976 8.978 -5.107 1.00 0.00 C ATOM 181 NE ARG A 13 -29.330 7.715 -5.748 1.00 0.00 N ATOM 182 CZ ARG A 13 -30.567 7.392 -6.121 1.00 0.00 C ATOM 183 NH1 ARG A 13 -31.570 8.237 -5.917 1.00 0.00 N ATOM 184 NH2 ARG A 13 -30.800 6.222 -6.699 1.00 0.00 N ATOM 0 H ARG A 13 -27.983 12.867 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 13 -28.318 10.673 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -27.430 10.964 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.949 10.243 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -26.943 8.300 -5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -27.726 8.422 -3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -29.740 9.239 -4.374 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -28.966 9.773 -5.853 1.00 0.00 H new ATOM 0 HE ARG A 13 -28.585 7.040 -5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -31.395 9.138 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -32.516 7.985 -6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -30.032 5.570 -6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -31.747 5.974 -6.985 1.00 0.00 H new ATOM 198 N ILE A 14 -26.532 10.648 -0.558 1.00 0.00 N ATOM 199 CA ILE A 14 -25.701 10.129 0.522 1.00 0.00 C ATOM 200 C ILE A 14 -25.789 8.608 0.603 1.00 0.00 C ATOM 201 O ILE A 14 -26.798 8.011 0.227 1.00 0.00 O ATOM 202 CB ILE A 14 -26.101 10.743 1.881 1.00 0.00 C ATOM 203 CG1 ILE A 14 -25.241 10.166 3.018 1.00 0.00 C ATOM 204 CG2 ILE A 14 -27.584 10.527 2.150 1.00 0.00 C ATOM 205 CD1 ILE A 14 -25.743 8.850 3.580 1.00 0.00 C ATOM 0 H ILE A 14 -27.245 11.314 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.672 10.411 0.298 1.00 0.00 H new ATOM 0 HB ILE A 14 -25.918 11.817 1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.224 10.026 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -25.191 10.896 3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -27.847 10.967 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -28.169 11.001 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -27.799 9.458 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -25.077 8.517 4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -26.748 8.985 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -25.765 8.101 2.788 1.00 0.00 H new ATOM 217 N GLY A 15 -24.722 7.995 1.097 1.00 0.00 N ATOM 218 CA GLY A 15 -24.680 6.554 1.226 1.00 0.00 C ATOM 219 C GLY A 15 -23.644 5.913 0.325 1.00 0.00 C ATOM 220 O GLY A 15 -23.589 4.689 0.211 1.00 0.00 O ATOM 0 H GLY A 15 -23.879 8.475 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -24.465 6.293 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -25.662 6.144 0.991 1.00 0.00 H new ATOM 224 N TRP A 16 -22.815 6.733 -0.316 1.00 0.00 N ATOM 225 CA TRP A 16 -21.777 6.219 -1.203 1.00 0.00 C ATOM 226 C TRP A 16 -20.946 5.162 -0.487 1.00 0.00 C ATOM 227 O TRP A 16 -20.638 4.106 -1.044 1.00 0.00 O ATOM 228 CB TRP A 16 -20.875 7.345 -1.719 1.00 0.00 C ATOM 229 CG TRP A 16 -20.364 8.250 -0.643 1.00 0.00 C ATOM 230 CD1 TRP A 16 -21.091 9.155 0.068 1.00 0.00 C ATOM 231 CD2 TRP A 16 -19.019 8.346 -0.164 1.00 0.00 C ATOM 232 NE1 TRP A 16 -20.283 9.807 0.970 1.00 0.00 N ATOM 233 CE2 TRP A 16 -19.005 9.328 0.845 1.00 0.00 C ATOM 234 CE3 TRP A 16 -17.825 7.694 -0.487 1.00 0.00 C ATOM 235 CZ2 TRP A 16 -17.844 9.674 1.531 1.00 0.00 C ATOM 236 CZ3 TRP A 16 -16.672 8.040 0.195 1.00 0.00 C ATOM 237 CH2 TRP A 16 -16.690 9.021 1.195 1.00 0.00 C ATOM 0 H TRP A 16 -22.842 7.750 -0.238 1.00 0.00 H new ATOM 0 HA TRP A 16 -22.267 5.763 -2.063 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -20.027 6.906 -2.245 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -21.430 7.938 -2.446 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -22.148 9.335 -0.058 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -20.585 10.529 1.625 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -17.803 6.934 -1.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -17.854 10.431 2.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -15.743 7.546 -0.048 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -15.774 9.267 1.711 1.00 0.00 H new ATOM 248 N LEU A 17 -20.614 5.448 0.766 1.00 0.00 N ATOM 249 CA LEU A 17 -19.848 4.517 1.586 1.00 0.00 C ATOM 250 C LEU A 17 -20.691 3.288 1.894 1.00 0.00 C ATOM 251 O LEU A 17 -20.175 2.217 2.218 1.00 0.00 O ATOM 252 CB LEU A 17 -19.405 5.184 2.890 1.00 0.00 C ATOM 253 CG LEU A 17 -18.395 6.318 2.719 1.00 0.00 C ATOM 254 CD1 LEU A 17 -18.747 7.491 3.620 1.00 0.00 C ATOM 255 CD2 LEU A 17 -16.985 5.824 3.007 1.00 0.00 C ATOM 0 H LEU A 17 -20.863 6.318 1.237 1.00 0.00 H new ATOM 0 HA LEU A 17 -18.959 4.217 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -20.286 5.575 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -18.971 4.425 3.541 1.00 0.00 H new ATOM 0 HG LEU A 17 -18.435 6.660 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -18.016 8.287 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -19.739 7.862 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -18.739 7.166 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -16.279 6.645 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -16.931 5.454 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -16.733 5.019 2.316 1.00 0.00 H new ATOM 267 N HIS A 18 -21.998 3.468 1.778 1.00 0.00 N ATOM 268 CA HIS A 18 -22.967 2.422 2.021 1.00 0.00 C ATOM 269 C HIS A 18 -23.314 1.700 0.722 1.00 0.00 C ATOM 270 O HIS A 18 -24.362 1.065 0.608 1.00 0.00 O ATOM 271 CB HIS A 18 -24.214 3.045 2.625 1.00 0.00 C ATOM 272 CG HIS A 18 -23.948 3.835 3.869 1.00 0.00 C ATOM 273 ND1 HIS A 18 -23.075 4.903 3.911 1.00 0.00 N ATOM 274 CD2 HIS A 18 -24.443 3.708 5.124 1.00 0.00 C ATOM 275 CE1 HIS A 18 -23.042 5.396 5.135 1.00 0.00 C ATOM 276 NE2 HIS A 18 -23.864 4.689 5.890 1.00 0.00 N ATOM 0 H HIS A 18 -22.416 4.358 1.509 1.00 0.00 H new ATOM 0 HA HIS A 18 -22.547 1.690 2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -24.680 3.695 1.885 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -24.931 2.256 2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -25.159 2.972 5.459 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -22.445 6.234 5.463 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -24.040 4.847 6.882 1.00 0.00 H new ATOM 285 N ASN A 19 -22.423 1.814 -0.258 1.00 0.00 N ATOM 286 CA ASN A 19 -22.613 1.189 -1.558 1.00 0.00 C ATOM 287 C ASN A 19 -21.370 0.400 -1.951 1.00 0.00 C ATOM 288 O ASN A 19 -21.454 -0.767 -2.333 1.00 0.00 O ATOM 289 CB ASN A 19 -22.906 2.259 -2.610 1.00 0.00 C ATOM 290 CG ASN A 19 -23.737 1.736 -3.762 1.00 0.00 C ATOM 291 OD1 ASN A 19 -24.108 0.563 -3.796 1.00 0.00 O ATOM 292 ND2 ASN A 19 -24.032 2.611 -4.717 1.00 0.00 N ATOM 0 H ASN A 19 -21.553 2.340 -0.172 1.00 0.00 H new ATOM 0 HA ASN A 19 -23.459 0.504 -1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -23.429 3.092 -2.139 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -21.965 2.651 -2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -24.588 2.320 -5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -23.702 3.574 -4.646 1.00 0.00 H new ATOM 299 N LEU A 20 -20.215 1.049 -1.846 1.00 0.00 N ATOM 300 CA LEU A 20 -18.948 0.412 -2.184 1.00 0.00 C ATOM 301 C LEU A 20 -18.626 -0.708 -1.198 1.00 0.00 C ATOM 302 O LEU A 20 -17.929 -1.663 -1.536 1.00 0.00 O ATOM 303 CB LEU A 20 -17.817 1.443 -2.189 1.00 0.00 C ATOM 304 CG LEU A 20 -17.656 2.227 -0.888 1.00 0.00 C ATOM 305 CD1 LEU A 20 -16.680 1.523 0.041 1.00 0.00 C ATOM 306 CD2 LEU A 20 -17.192 3.646 -1.175 1.00 0.00 C ATOM 0 H LEU A 20 -20.131 2.015 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.040 -0.018 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -16.879 0.931 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.991 2.148 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.626 2.276 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.578 2.096 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -17.054 0.526 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.708 1.442 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.083 4.190 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.233 3.618 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.927 4.149 -1.803 1.00 0.00 H new ATOM 318 N GLY A 21 -19.141 -0.584 0.021 1.00 0.00 N ATOM 319 CA GLY A 21 -18.898 -1.596 1.033 1.00 0.00 C ATOM 320 C GLY A 21 -19.561 -2.916 0.697 1.00 0.00 C ATOM 321 O GLY A 21 -19.127 -3.972 1.158 1.00 0.00 O ATOM 0 H GLY A 21 -19.721 0.198 0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.824 -1.748 1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -19.268 -1.241 1.995 1.00 0.00 H new ATOM 325 N ASP A 22 -20.617 -2.858 -0.109 1.00 0.00 N ATOM 326 CA ASP A 22 -21.342 -4.058 -0.506 1.00 0.00 C ATOM 327 C ASP A 22 -20.784 -4.627 -1.807 1.00 0.00 C ATOM 328 O ASP A 22 -20.648 -5.840 -1.957 1.00 0.00 O ATOM 329 CB ASP A 22 -22.831 -3.747 -0.670 1.00 0.00 C ATOM 330 CG ASP A 22 -23.717 -4.830 -0.086 1.00 0.00 C ATOM 331 OD1 ASP A 22 -23.992 -4.782 1.131 1.00 0.00 O ATOM 332 OD2 ASP A 22 -24.134 -5.728 -0.847 1.00 0.00 O ATOM 0 H ASP A 22 -20.989 -1.992 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 22 -21.217 -4.804 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.056 -2.797 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.059 -3.627 -1.729 1.00 0.00 H new ATOM 337 N GLN A 23 -20.460 -3.741 -2.746 1.00 0.00 N ATOM 338 CA GLN A 23 -19.918 -4.161 -4.034 1.00 0.00 C ATOM 339 C GLN A 23 -18.610 -4.926 -3.851 1.00 0.00 C ATOM 340 O GLN A 23 -18.346 -5.900 -4.555 1.00 0.00 O ATOM 341 CB GLN A 23 -19.704 -2.946 -4.946 1.00 0.00 C ATOM 342 CG GLN A 23 -18.423 -2.175 -4.665 1.00 0.00 C ATOM 343 CD GLN A 23 -18.242 -0.987 -5.589 1.00 0.00 C ATOM 344 OE1 GLN A 23 -18.865 0.059 -5.406 1.00 0.00 O ATOM 345 NE2 GLN A 23 -17.385 -1.143 -6.591 1.00 0.00 N ATOM 0 H GLN A 23 -20.563 -2.732 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.639 -4.829 -4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -19.693 -3.281 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -20.553 -2.271 -4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -18.431 -1.829 -3.632 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.570 -2.845 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.890 -2.027 -6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.222 -0.379 -7.246 1.00 0.00 H new ATOM 354 N ILE A 24 -17.793 -4.479 -2.901 1.00 0.00 N ATOM 355 CA ILE A 24 -16.518 -5.118 -2.626 1.00 0.00 C ATOM 356 C ILE A 24 -16.636 -6.089 -1.452 1.00 0.00 C ATOM 357 O ILE A 24 -15.748 -6.168 -0.604 1.00 0.00 O ATOM 358 CB ILE A 24 -15.429 -4.069 -2.324 1.00 0.00 C ATOM 359 CG1 ILE A 24 -14.069 -4.744 -2.182 1.00 0.00 C ATOM 360 CG2 ILE A 24 -15.775 -3.287 -1.063 1.00 0.00 C ATOM 361 CD1 ILE A 24 -12.906 -3.853 -2.561 1.00 0.00 C ATOM 0 H ILE A 24 -17.996 -3.674 -2.309 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.232 -5.676 -3.518 1.00 0.00 H new ATOM 0 HB ILE A 24 -15.381 -3.368 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.942 -5.073 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.050 -5.637 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.995 -2.551 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -16.728 -2.777 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.849 -3.972 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.972 -4.401 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.008 -3.544 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.899 -2.971 -1.920 1.00 0.00 H new ATOM 373 N GLY A 25 -17.742 -6.824 -1.411 1.00 0.00 N ATOM 374 CA GLY A 25 -17.957 -7.779 -0.339 1.00 0.00 C ATOM 375 C GLY A 25 -17.401 -9.155 -0.658 1.00 0.00 C ATOM 376 O GLY A 25 -17.675 -10.118 0.056 1.00 0.00 O ATOM 0 H GLY A 25 -18.493 -6.776 -2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.491 -7.406 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -19.026 -7.861 -0.140 1.00 0.00 H new ATOM 380 N LYS A 26 -16.621 -9.246 -1.731 1.00 0.00 N ATOM 381 CA LYS A 26 -16.024 -10.505 -2.146 1.00 0.00 C ATOM 382 C LYS A 26 -15.282 -11.175 -0.988 1.00 0.00 C ATOM 383 O LYS A 26 -14.203 -10.731 -0.597 1.00 0.00 O ATOM 384 CB LYS A 26 -15.064 -10.264 -3.310 1.00 0.00 C ATOM 385 CG LYS A 26 -14.249 -8.986 -3.179 1.00 0.00 C ATOM 386 CD LYS A 26 -12.921 -9.091 -3.911 1.00 0.00 C ATOM 387 CE LYS A 26 -12.167 -7.772 -3.890 1.00 0.00 C ATOM 388 NZ LYS A 26 -11.173 -7.683 -4.995 1.00 0.00 N ATOM 0 H LYS A 26 -16.388 -8.455 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 26 -16.824 -11.172 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.383 -11.112 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.635 -10.226 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.820 -8.147 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.068 -8.776 -2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.311 -9.867 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.096 -9.395 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.875 -6.948 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.657 -7.661 -2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.680 -6.769 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.482 -8.455 -4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.662 -7.764 -5.909 1.00 0.00 H new ATOM 402 N PRO A 27 -15.851 -12.256 -0.424 1.00 0.00 N ATOM 403 CA PRO A 27 -15.235 -12.976 0.689 1.00 0.00 C ATOM 404 C PRO A 27 -14.169 -13.970 0.232 1.00 0.00 C ATOM 405 O PRO A 27 -13.493 -14.588 1.055 1.00 0.00 O ATOM 406 CB PRO A 27 -16.419 -13.713 1.308 1.00 0.00 C ATOM 407 CG PRO A 27 -17.325 -13.994 0.156 1.00 0.00 C ATOM 408 CD PRO A 27 -17.139 -12.860 -0.822 1.00 0.00 C ATOM 0 HA PRO A 27 -14.713 -12.306 1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -16.102 -14.634 1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -16.915 -13.104 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -17.079 -14.950 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -18.362 -14.057 0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -17.111 -13.220 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -17.955 -12.140 -0.759 1.00 0.00 H new ATOM 416 N TYR A 28 -14.021 -14.124 -1.082 1.00 0.00 N ATOM 417 CA TYR A 28 -13.036 -15.046 -1.634 1.00 0.00 C ATOM 418 C TYR A 28 -12.644 -14.646 -3.055 1.00 0.00 C ATOM 419 O TYR A 28 -13.309 -15.012 -4.023 1.00 0.00 O ATOM 420 CB TYR A 28 -13.579 -16.481 -1.613 1.00 0.00 C ATOM 421 CG TYR A 28 -14.713 -16.731 -2.586 1.00 0.00 C ATOM 422 CD1 TYR A 28 -15.833 -15.910 -2.608 1.00 0.00 C ATOM 423 CD2 TYR A 28 -14.661 -17.793 -3.481 1.00 0.00 C ATOM 424 CE1 TYR A 28 -16.867 -16.137 -3.495 1.00 0.00 C ATOM 425 CE2 TYR A 28 -15.692 -18.026 -4.371 1.00 0.00 C ATOM 426 CZ TYR A 28 -16.792 -17.197 -4.374 1.00 0.00 C ATOM 427 OH TYR A 28 -17.820 -17.427 -5.259 1.00 0.00 O ATOM 0 H TYR A 28 -14.570 -13.623 -1.781 1.00 0.00 H new ATOM 0 HA TYR A 28 -12.142 -14.999 -1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -12.764 -17.169 -1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.923 -16.713 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -15.896 -15.080 -1.920 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.801 -18.447 -3.481 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -17.730 -15.488 -3.500 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -15.636 -18.855 -5.061 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.252 -16.577 -5.487 1.00 0.00 H new ATOM 437 N ASN A 29 -11.554 -13.894 -3.170 1.00 0.00 N ATOM 438 CA ASN A 29 -11.064 -13.445 -4.467 1.00 0.00 C ATOM 439 C ASN A 29 -12.109 -12.590 -5.183 1.00 0.00 C ATOM 440 O ASN A 29 -12.041 -11.362 -5.153 1.00 0.00 O ATOM 441 CB ASN A 29 -10.680 -14.654 -5.322 1.00 0.00 C ATOM 442 CG ASN A 29 -10.386 -14.289 -6.766 1.00 0.00 C ATOM 443 OD1 ASN A 29 -10.133 -13.128 -7.086 1.00 0.00 O ATOM 444 ND2 ASN A 29 -10.418 -15.283 -7.645 1.00 0.00 N ATOM 0 H ASN A 29 -10.992 -13.582 -2.378 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.181 -12.826 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.803 -15.135 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.490 -15.383 -5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.228 -15.099 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.632 -16.231 -7.335 1.00 0.00 H new ATOM 451 N SER A 30 -13.069 -13.244 -5.830 1.00 0.00 N ATOM 452 CA SER A 30 -14.116 -12.545 -6.554 1.00 0.00 C ATOM 453 C SER A 30 -15.268 -13.498 -6.877 1.00 0.00 C ATOM 454 O SER A 30 -15.738 -14.230 -6.008 1.00 0.00 O ATOM 455 CB SER A 30 -13.537 -11.920 -7.827 1.00 0.00 C ATOM 456 OG SER A 30 -14.441 -10.991 -8.397 1.00 0.00 O ATOM 0 H SER A 30 -13.140 -14.261 -5.865 1.00 0.00 H new ATOM 0 HA SER A 30 -14.513 -11.745 -5.929 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.596 -11.421 -7.595 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.312 -12.704 -8.550 1.00 0.00 H new ATOM 0 HG SER A 30 -14.046 -10.605 -9.207 1.00 0.00 H new ATOM 462 N SER A 31 -15.719 -13.485 -8.125 1.00 0.00 N ATOM 463 CA SER A 31 -16.812 -14.350 -8.554 1.00 0.00 C ATOM 464 C SER A 31 -16.306 -15.756 -8.858 1.00 0.00 C ATOM 465 O SER A 31 -15.509 -15.954 -9.776 1.00 0.00 O ATOM 466 CB SER A 31 -17.498 -13.763 -9.790 1.00 0.00 C ATOM 467 OG SER A 31 -17.835 -12.401 -9.590 1.00 0.00 O ATOM 0 H SER A 31 -15.344 -12.884 -8.859 1.00 0.00 H new ATOM 0 HA SER A 31 -17.535 -14.412 -7.740 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.839 -13.854 -10.653 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.399 -14.334 -10.015 1.00 0.00 H new ATOM 0 HG SER A 31 -18.270 -12.050 -10.395 1.00 0.00 H new ATOM 473 N GLY A 32 -16.770 -16.727 -8.079 1.00 0.00 N ATOM 474 CA GLY A 32 -16.351 -18.102 -8.281 1.00 0.00 C ATOM 475 C GLY A 32 -17.450 -18.965 -8.867 1.00 0.00 C ATOM 476 O GLY A 32 -17.256 -19.618 -9.893 1.00 0.00 O ATOM 0 H GLY A 32 -17.428 -16.587 -7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.486 -18.121 -8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -16.031 -18.524 -7.328 1.00 0.00 H new ATOM 480 N LEU A 33 -18.607 -18.972 -8.214 1.00 0.00 N ATOM 481 CA LEU A 33 -19.742 -19.762 -8.673 1.00 0.00 C ATOM 482 C LEU A 33 -20.169 -19.339 -10.077 1.00 0.00 C ATOM 483 O LEU A 33 -19.456 -18.601 -10.756 1.00 0.00 O ATOM 484 CB LEU A 33 -20.912 -19.617 -7.699 1.00 0.00 C ATOM 485 CG LEU A 33 -21.584 -20.933 -7.297 1.00 0.00 C ATOM 486 CD1 LEU A 33 -21.396 -21.200 -5.812 1.00 0.00 C ATOM 487 CD2 LEU A 33 -23.063 -20.911 -7.655 1.00 0.00 C ATOM 0 H LEU A 33 -18.783 -18.438 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.438 -20.808 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -20.556 -19.118 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -21.662 -18.966 -8.149 1.00 0.00 H new ATOM 0 HG LEU A 33 -21.110 -21.742 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -21.881 -22.140 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.332 -21.264 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -21.840 -20.388 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -23.522 -21.855 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.552 -20.090 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -23.175 -20.772 -8.730 1.00 0.00 H new ATOM 499 N GLY A 34 -21.334 -19.815 -10.504 1.00 0.00 N ATOM 500 CA GLY A 34 -21.833 -19.477 -11.824 1.00 0.00 C ATOM 501 C GLY A 34 -21.080 -20.196 -12.928 1.00 0.00 C ATOM 502 O GLY A 34 -20.091 -20.880 -12.665 1.00 0.00 O ATOM 0 H GLY A 34 -21.941 -20.428 -9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -22.891 -19.730 -11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.753 -18.400 -11.975 1.00 0.00 H new ATOM 506 N GLY A 35 -21.547 -20.041 -14.162 1.00 0.00 N ATOM 507 CA GLY A 35 -20.895 -20.688 -15.285 1.00 0.00 C ATOM 508 C GLY A 35 -21.423 -20.210 -16.625 1.00 0.00 C ATOM 509 O GLY A 35 -20.686 -19.606 -17.403 1.00 0.00 O ATOM 0 H GLY A 35 -22.364 -19.480 -14.404 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -19.822 -20.500 -15.234 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.034 -21.766 -15.208 1.00 0.00 H new ATOM 513 N PRO A 36 -22.706 -20.471 -16.928 1.00 0.00 N ATOM 514 CA PRO A 36 -23.316 -20.060 -18.196 1.00 0.00 C ATOM 515 C PRO A 36 -23.493 -18.548 -18.300 1.00 0.00 C ATOM 516 O PRO A 36 -23.143 -17.943 -19.313 1.00 0.00 O ATOM 517 CB PRO A 36 -24.680 -20.756 -18.181 1.00 0.00 C ATOM 518 CG PRO A 36 -24.984 -20.960 -16.737 1.00 0.00 C ATOM 519 CD PRO A 36 -23.660 -21.191 -16.063 1.00 0.00 C ATOM 0 HA PRO A 36 -22.692 -20.330 -19.048 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -25.442 -20.144 -18.664 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -24.646 -21.705 -18.717 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -25.489 -20.089 -16.318 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -25.648 -21.813 -16.595 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -23.654 -20.800 -15.045 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -23.422 -22.253 -15.998 1.00 0.00 H new ATOM 527 N SER A 37 -24.035 -17.943 -17.248 1.00 0.00 N ATOM 528 CA SER A 37 -24.255 -16.501 -17.229 1.00 0.00 C ATOM 529 C SER A 37 -22.953 -15.752 -17.499 1.00 0.00 C ATOM 530 O SER A 37 -22.929 -14.775 -18.248 1.00 0.00 O ATOM 531 CB SER A 37 -24.835 -16.068 -15.881 1.00 0.00 C ATOM 532 OG SER A 37 -26.250 -16.035 -15.922 1.00 0.00 O ATOM 0 H SER A 37 -24.329 -18.427 -16.400 1.00 0.00 H new ATOM 0 HA SER A 37 -24.967 -16.256 -18.017 1.00 0.00 H new ATOM 0 HB2 SER A 37 -24.507 -16.756 -15.102 1.00 0.00 H new ATOM 0 HB3 SER A 37 -24.453 -15.082 -15.617 1.00 0.00 H new ATOM 0 HG SER A 37 -26.596 -15.757 -15.048 1.00 0.00 H new ATOM 538 N ILE A 38 -21.872 -16.220 -16.887 1.00 0.00 N ATOM 539 CA ILE A 38 -20.565 -15.603 -17.062 1.00 0.00 C ATOM 540 C ILE A 38 -20.012 -15.873 -18.458 1.00 0.00 C ATOM 541 O ILE A 38 -19.744 -14.944 -19.222 1.00 0.00 O ATOM 542 CB ILE A 38 -19.562 -16.115 -16.014 1.00 0.00 C ATOM 543 CG1 ILE A 38 -20.138 -15.960 -14.605 1.00 0.00 C ATOM 544 CG2 ILE A 38 -18.235 -15.379 -16.135 1.00 0.00 C ATOM 545 CD1 ILE A 38 -20.825 -17.207 -14.094 1.00 0.00 C ATOM 0 H ILE A 38 -21.876 -17.027 -16.264 1.00 0.00 H new ATOM 0 HA ILE A 38 -20.699 -14.529 -16.931 1.00 0.00 H new ATOM 0 HB ILE A 38 -19.381 -17.174 -16.199 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -19.334 -15.691 -13.920 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -20.850 -15.135 -14.601 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -17.540 -15.756 -15.385 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -17.819 -15.541 -17.129 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.395 -14.312 -15.978 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -21.209 -17.025 -13.090 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -21.650 -17.465 -14.757 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -20.111 -18.030 -14.066 1.00 0.00 H new ATOM 557 N LYS A 39 -19.844 -17.150 -18.784 1.00 0.00 N ATOM 558 CA LYS A 39 -19.320 -17.544 -20.089 1.00 0.00 C ATOM 559 C LYS A 39 -20.037 -16.807 -21.217 1.00 0.00 C ATOM 560 O LYS A 39 -19.454 -16.547 -22.270 1.00 0.00 O ATOM 561 CB LYS A 39 -19.458 -19.055 -20.281 1.00 0.00 C ATOM 562 CG LYS A 39 -18.299 -19.680 -21.039 1.00 0.00 C ATOM 563 CD LYS A 39 -18.637 -19.880 -22.508 1.00 0.00 C ATOM 564 CE LYS A 39 -17.383 -20.039 -23.351 1.00 0.00 C ATOM 565 NZ LYS A 39 -16.567 -21.206 -22.918 1.00 0.00 N ATOM 0 H LYS A 39 -20.062 -17.930 -18.164 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.265 -17.274 -20.122 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.541 -19.531 -19.304 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -20.385 -19.262 -20.816 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.419 -19.043 -20.951 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.044 -20.640 -20.589 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -19.267 -20.762 -22.621 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.214 -19.029 -22.869 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.662 -20.160 -24.398 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.783 -19.132 -23.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.766 -21.331 -23.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.208 -21.041 -21.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.156 -22.063 -22.925 1.00 0.00 H new ATOM 579 N ASP A 40 -21.302 -16.469 -20.988 1.00 0.00 N ATOM 580 CA ASP A 40 -22.093 -15.758 -21.985 1.00 0.00 C ATOM 581 C ASP A 40 -21.934 -14.251 -21.830 1.00 0.00 C ATOM 582 O ASP A 40 -22.097 -13.498 -22.790 1.00 0.00 O ATOM 583 CB ASP A 40 -23.569 -16.143 -21.871 1.00 0.00 C ATOM 584 CG ASP A 40 -24.260 -16.191 -23.219 1.00 0.00 C ATOM 585 OD1 ASP A 40 -23.837 -16.997 -24.075 1.00 0.00 O ATOM 586 OD2 ASP A 40 -25.226 -15.424 -23.419 1.00 0.00 O ATOM 0 H ASP A 40 -21.800 -16.676 -20.122 1.00 0.00 H new ATOM 0 HA ASP A 40 -21.728 -16.045 -22.971 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -23.651 -17.117 -21.389 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -24.080 -15.425 -21.229 1.00 0.00 H new ATOM 591 N LYS A 41 -21.601 -13.816 -20.619 1.00 0.00 N ATOM 592 CA LYS A 41 -21.403 -12.401 -20.347 1.00 0.00 C ATOM 593 C LYS A 41 -20.092 -11.922 -20.956 1.00 0.00 C ATOM 594 O LYS A 41 -19.877 -10.723 -21.131 1.00 0.00 O ATOM 595 CB LYS A 41 -21.410 -12.145 -18.838 1.00 0.00 C ATOM 596 CG LYS A 41 -21.380 -10.669 -18.472 1.00 0.00 C ATOM 597 CD LYS A 41 -22.548 -9.918 -19.091 1.00 0.00 C ATOM 598 CE LYS A 41 -23.883 -10.485 -18.637 1.00 0.00 C ATOM 599 NZ LYS A 41 -24.531 -11.301 -19.701 1.00 0.00 N ATOM 0 H LYS A 41 -21.463 -14.425 -19.812 1.00 0.00 H new ATOM 0 HA LYS A 41 -22.222 -11.843 -20.801 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -22.300 -12.600 -18.405 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.548 -12.640 -18.390 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -21.410 -10.561 -17.388 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -20.442 -10.228 -18.810 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.489 -8.864 -18.819 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.480 -9.971 -20.178 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -23.733 -11.099 -17.749 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.546 -9.668 -18.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.539 -11.427 -19.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -24.439 -10.815 -20.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.069 -12.231 -19.755 1.00 0.00 H new ATOM 613 N TYR A 42 -19.220 -12.871 -21.288 1.00 0.00 N ATOM 614 CA TYR A 42 -17.928 -12.548 -21.890 1.00 0.00 C ATOM 615 C TYR A 42 -17.527 -13.604 -22.914 1.00 0.00 C ATOM 616 O TYR A 42 -16.311 -13.762 -23.157 1.00 0.00 O ATOM 617 CB TYR A 42 -16.842 -12.429 -20.816 1.00 0.00 C ATOM 618 CG TYR A 42 -17.352 -11.915 -19.488 1.00 0.00 C ATOM 619 CD1 TYR A 42 -17.894 -12.786 -18.554 1.00 0.00 C ATOM 620 CD2 TYR A 42 -17.298 -10.564 -19.172 1.00 0.00 C ATOM 621 CE1 TYR A 42 -18.369 -12.327 -17.341 1.00 0.00 C ATOM 622 CE2 TYR A 42 -17.769 -10.096 -17.961 1.00 0.00 C ATOM 623 CZ TYR A 42 -18.304 -10.981 -17.049 1.00 0.00 C ATOM 624 OH TYR A 42 -18.775 -10.520 -15.842 1.00 0.00 O ATOM 625 OXT TYR A 42 -18.432 -14.266 -23.465 1.00 0.00 O ATOM 0 H TYR A 42 -19.384 -13.868 -21.151 1.00 0.00 H new ATOM 0 HA TYR A 42 -18.029 -11.588 -22.397 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.384 -13.407 -20.665 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -16.059 -11.762 -21.177 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -17.945 -13.841 -18.779 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -16.881 -9.868 -19.885 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -18.789 -13.018 -16.625 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -17.719 -9.042 -17.730 1.00 0.00 H new ATOM 0 HH TYR A 42 -18.655 -9.549 -15.793 1.00 0.00 H new TER 635 TYR A 42